(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone

C28H24BrNO2S — CID 635765

IUPAC(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1sc(N2CCOCC2)c(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C28H24BrNO2S/c29-23-13-11-22(12-14-23)26(31)27-24(19-20-7-3-1-4-8-20)25(21-9-5-2-6-10-21)28(33-27)30-15-17-32-18-16-30/h1-14H,15-19H2
InChIKeyIVPUYWYLKSKVTK-UHFFFAOYSA-N
MW518.48 g/mol
LogP6.84
Rot. Bonds6

About (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone

(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone (PubChem CID 635765) has the molecular formula C28H24BrNO2S and a molecular weight of 518.48 g/mol. Its IUPAC name is (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone
PubChem CID635765
Molecular FormulaC28H24BrNO2S
Molecular Weight518.48 g/mol
Exact Mass517.07
IUPAC Name(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1sc(N2CCOCC2)c(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C28H24BrNO2S/c29-23-13-11-22(12-14-23)26(31)27-24(19-20-7-3-1-4-8-20)25(21-9-5-2-6-10-21)28(33-27)30-15-17-32-18-16-30/h1-14H,15-19H2
InChIKeyIVPUYWYLKSKVTK-UHFFFAOYSA-N
XLogP6.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone (CID 635765) is (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)c1sc(N2CCOCC2)c(-c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone?
The InChIKey is IVPUYWYLKSKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO2S/c29-23-13-11-22(12-14-23)26(31)27-24(19-20-7-3-1-4-8-20)25(21-9-5-2-6-10-21)28(33-27)30-15-17-32-18-16-30/h1-14H,15-19H2.
What are the key properties of (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone?
(3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone has a molecular weight of 518.48 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).